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Search results for: '2057509-72-3(free)'
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Lapatinib, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2
Cas Number: 231277-92-2 EC Number: 642-915-3, 878-720-7Formula: C29H26ClFN4O4SMolecular weight: 581.06Synonyms: EN300-117254 | Kinome_3685 | 231277-92-2 (free base) | D08108 | GSK 572016 | GTPL5692 | Lapatinib fr...SMILES: CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)ClInChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-NInChI: InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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amiselimod
Cas Number: 942399-20-4Synonyms: 16beta-(Acetyloxy)-3beta-((2,6-dideoxy-3-O-methyl-L-arabino-hexopyranosyl)oxy)-14-hydroxycard-20-(22...SMILES: CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)NInChIKey: JVCPIJKPAKAIIP-UHFFFAOYSA-NInChI: InChI=1S/C19H30F3NO3/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3
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tert-butyl (3R)-4-hydroxy-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
Cas Number: 2172654-72-5Formula: C14H25NO4Molecular weight: 271.35Synonyms: TERT-BUTYL (3R)-4-HYDROXY-3-METHYL-2-OXA-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE | 2172654-72-5 | F86216SMILES: CC1C(C2(CCN(CC2)C(=O)OC(C)(C)C)CO1)OInChIKey: DORRAJSJCALZIB-NFJWQWPMSA-NInChI: InChI=1S/C14H25NO4/c1-10-11(16)14(9-18-10)5-7-15(8-6-14)12(17)19-13(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11?/m1/s1
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AZD8529, Allosteric modulator of mGlu 2 receptor
Synonyms: MS-29057 | UNII-6H81G454I7 | AZD-8529 free base | EX-A7769 | 7-Methyl-5-(3-(piperazin-1-ylmethyl)-1,...SMILES: Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1InChIKey: IPCYZQQFECEHLI-UHFFFAOYSA-NInChI: InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3
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QAV680, G protein-coupled receptor 44 antagonist
Synonyms: 2-(2-methyl-1-(4-(methylsulfonyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid | 1263765-71-4 | ...SMILES: OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)CInChIKey: YOPFAMROKXHVCQ-UHFFFAOYSA-NInChI: InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
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2-(3-chlorophenoxy)benzaldehyde
Cas Number: 181297-72-3Formula: C13H9ClO2Molecular weight: 232.67Synonyms: 2-(3-chlorophenoxy)benzaldehyde|2-(3-chlorophenoxy)benzenecarbaldehyde|181297-72-3|SCHEMBL5319954|DT...SMILES: C1=CC=C(C(=C1)C=O)OC2=CC(=CC=C2)ClInChIKey: JEPWDAWNQGZIFB-UHFFFAOYSA-NInChI: InChI=1S/C13H9ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H
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benzyl (4S)-4-methyl-2,2-dioxo-oxathiazolidine-3-carboxylate
Cas Number: 1007121-72-3Formula: C11H13NO5SMolecular weight: 271.29Synonyms: 1007121-72-3 | (S)-3-Cbz-4-methyl-1,2,3-oxathiazolidine 2,2-dioxide | E88414 | (S)-3-Cbz-4-methyl-1,...SMILES: CC1COS(=O)(=O)N1C(=O)OCC2=CC=CC=C2InChIKey: CKCJEQFMSMZKEV-VIFPVBQESA-NInChI: InChI=1S/C11H13NO5S/c1-9-7-17-18(14,15)12(9)11(13)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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PIK-75, free base, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhi
Cas Number: 372196-67-3Formula: C16H14BrN5O4SMolecular weight: 452.28Synonyms: N'-[(1E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide h...SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)BrInChIKey: QTHCAAFKVUWAFI-DJKKODMXSA-NInChI: InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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N-Butyl 3-nitrobenzenesulfonamide
Cas Number: 89840-72-2Formula: C10H14N2O4SMolecular weight: 258.3Synonyms: N-BUTYL 3-NITROBENZENESULFONAMIDE|89840-72-2|N-butyl-3-nitrobenzenesulfonamide|N-butyl-3-nitrobenzen...SMILES: CCCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]InChIKey: OZIMAACTQKBWTF-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2O4S/c1-2-3-7-11-17(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
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3-Methoxy-2-butanol
Cas Number: 53778-72-6Formula: C5H12O2Molecular weight: 104.1Synonyms: 3-Methoxy-2-butanol|3-Methoxybutan-2-ol|53778-72-6|2-Butanol, 3-methoxy-|3-Methoxy-2-butanol #|2-hyd...SMILES: CC(C(C)OC)OInChIKey: HJHFJCUIVDTESF-UHFFFAOYSA-NInChI: InChI=1S/C5H12O2/c1-4(6)5(2)7-3/h4-6H,1-3H3
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AZD3839, Inhibitor of beta-secretase 1
Cas Number: 1227163-84-9Formula: C24H16F3N5Molecular weight: 431.4Synonyms: 1227163-84-9|AZD3839|AZD-3839|AZD3839 free base|(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3...SMILES: C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5InChIKey: MRXBCEQZNKUUIP-DEOSSOPVSA-NInChI: InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1
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(2R,3S)-3-fluoro-2-methyl-azetidine;hydrochloride
Cas Number: 2231663-72-0Synonyms: (2R,3S)-3-fluoro-2-methylazetidine hydrochloride | 2231663-72-0 | trans-3-fluoro-2-methylazetidine h...SMILES: CC1C(CN1)F.ClInChIKey: LCIMHSJEJTYTNF-HJXLNUONSA-NInChI: InChI=1S/C4H8FN.ClH/c1-3-4(5)2-6-3;/h3-4,6H,2H2,1H3;1H/t3-,4+;/m1./s1
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3-(4-Bromophenyl)-5-propyl-1,2,4-oxadiazole
Cas Number: 312750-72-4Formula: C11H11BrN2OMolecular weight: 267.1Synonyms: 3-(4-bromophenyl)-5-propyl-1,2,4-oxadiazole|312750-72-4|DTXSID80394515|MFCD00985406|STK046341|AKOS00...SMILES: CCCC1=NC(=NO1)C2=CC=C(C=C2)BrInChIKey: QRBNCGXPBZAMIZ-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrN2O/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
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3-Bromothietane 1,1-dioxide
Cas Number: 59463-72-8Formula: C3H5BrO2SMolecular weight: 185Synonyms: 3-bromothietane 1,1-dioxide|59463-72-8|1,1-DIOXIDE-3-BROMOTHIETANE|MFCD11870754|Thietane, 3-bromo-, ...SMILES: C1C(CS1(=O)=O)BrInChIKey: XSEKMFLQQOEVTJ-UHFFFAOYSA-NInChI: InChI=1S/C3H5BrO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
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LatanoprostAcid, Agonist of FP receptor
Cas Number: 41639-83-2 EC Number: 682-021-0Formula: C23H34O5Molecular weight: 390.51Synonyms: NCGC00165820-01 | ethynyitrimethylsilane | latanoprost (free acid form) | latanoprost-free acid | (Z...SMILES: C1C(C(C(C1O)CC=CCCCC(=O)O)CCC(CCC2=CC=CC=C2)O)OInChIKey: HNPFPERDNWXAGS-NFVOFSAMSA-NInChI: InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1
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Prohydrojasmon racemate
Cas Number: 158474-72-7Formula: C15H26O3Molecular weight: 254.37Synonyms: 158474-72-7|Prohydrojasmon racemate|Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester|PROPYL 2-...SMILES: CCCCCC1C(CCC1=O)CC(=O)OCCCInChIKey: IPDFPNNPBMREIF-UHFFFAOYSA-NInChI: InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
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2,6-Dimethoxypyridine-3-carboxaldehyde
Cas Number: 58819-72-0Formula: C8H9NO3Molecular weight: 167.2Synonyms: 58819-72-0|2,6-Dimethoxypyridine-3-carboxaldehyde|2,6-dimethoxypyridine-3-carbaldehyde|2,6-Dimethoxy...SMILES: COC1=NC(=C(C=C1)C=O)OCInChIKey: UWHJWEBMUYYQKM-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-10)8(9-7)12-2/h3-5H,1-2H3
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3-methoxy-1H-indazol-5-amine
Cas Number: 1368181-72-9 EC Number: 859-796-0Formula: C8H9N3OMolecular weight: 163.18Synonyms: SB20838 | 1368181-72-9 | AKOS022714367 | MFCD22068858 | 5-Amino-3-methoxy-1H-indazole | 3-Methoxy-1H...SMILES: COC1=NNC2=C1C=C(C=C2)NInChIKey: VKRAQIYBQWNRSL-UHFFFAOYSA-NInChI: InChI=1S/C8H9N3O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,9H2,1H3,(H,10,11)
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tert-butyl N-(pyrrolidin-3-yl)carbamate hydrochloride
Cas Number: 1188263-72-0Formula: C9H19ClN2O2Molecular weight: 222.71Synonyms: 1188263-72-0 | AMY35569 | S-3-BOC-AMINO PYRROLIDINE-HCl | 3-BOC-AMINO PYRROLIDINE-HCl | tert-Butylpy...SMILES: CC(C)(C)OC(=O)NC1CCNC1.ClInChIKey: UYIZWZJKNFDMPB-UHFFFAOYSA-NInChI: InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-7-4-5-10-6-7;/h7,10H,4-6H2,1-3H3,(H,11,12);1H
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benzyl N-[(1R,3S)-3-hydroxycyclohexyl]carbamate
Cas Number: 1257303-72-2Formula: C14H19NO3Molecular weight: 249.3Synonyms: EN300-7024364 | DTXSID201151355 | Rel-benzyl ((1R,3S)-3-hydroxycyclohexyl)carbamate | MFCD26131507 |...SMILES: C1CC(CC(C1)O)NC(=O)OCC2=CC=CC=C2InChIKey: FYIZIYCXUSGNLZ-OLZOCXBDSA-NInChI: InChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13+/m1/s1
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methyl 4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
Cas Number: 2230200-72-1Formula: C12H14N2O5Molecular weight: 266.25Synonyms: 2230200-72-1 | methyl 4-nitro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate | SCHEMBL20280109 | F89695 |...SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NCC2CCO2InChIKey: HTYWVEUBCLGQES-VIFPVBQESA-NInChI: InChI=1S/C12H14N2O5/c1-18-12(15)8-2-3-11(14(16)17)10(6-8)13-7-9-4-5-19-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1
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3-Chloro-4-iodobenzoic acid
Cas Number: 58123-72-1Formula: C7H4ClIO2Molecular weight: 282.46Synonyms: 3-Chloro-4-iodobenzoic acid|58123-72-1|MFCD06637386|3-Chloro-4-iodobenzoicacid|SCHEMBL9212477|DTXSID...SMILES: C1=CC(=C(C=C1C(=O)O)Cl)IInChIKey: UTKNSLUWERDCPS-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
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3-(3-morpholinopropyl)phenylboronic acid, pinacol ester, HCl
Cas Number: 1150271-72-9Formula: C19H31BClNO3Molecular weight: 367.7Synonyms: 1150271-72-9 | 4-(3-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propyl)morpholinehydrochl...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CCCN3CCOCC3.ClInChIKey: WRGYYSFBZXNKLL-UHFFFAOYSA-NInChI: InChI=1S/C19H30BNO3.ClH/c1-18(2)19(3,4)24-20(23-18)17-9-5-7-16(15-17)8-6-10-21-11-13-22-14-12-21;/h5,7,9,15H,6,8,10-14H2,1-4H3;1H
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3-Nitro-4-(trifluoromethyl)benzonitrile
Cas Number: 1227489-72-6Formula: C8H3F3N2O2Molecular weight: 216.12Synonyms: 3-nitro-4-(trifluoromethyl)benzonitrile|1227489-72-6|Benzonitrile, 3-nitro-4-(trifluoromethyl)-|3-ni...SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])C(F)(F)FInChIKey: MKUMCYKZOUGCDR-UHFFFAOYSA-NInChI: InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13(14)15/h1-3H
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5 Citations 
